SCHEMBL7745229

SCHEMBL7745229

CC(C)CCn1c(Cn2cc3cccc([N+](=O)[O-])c3n2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7745618 0.77 MAPK1 (0.55) TSHRMAPK1MAPTTP53POLB
SCHEMBL7745481 0.72 CNR2 (0.50) TSHRMAPK1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL5858859 0.72 TSHR (0.70) TSHRMAPK1MAPTTP53POLB
SCHEMBL25251690 0.72 NOS1 (0.57) NOS1NOS2POLBKMT2AMEN1
SCHEMBL7740507 0.71 MAPK1 (0.68) TSHRMAPK1MAPTTP53POLB
SCHEMBL7745460 0.71 TSHR (0.61) TSHRMAPK1NOS1NOS2MAPT
SCHEMBL5859138 0.69 TSHR (0.65) TSHRMAPK1MAPTTP53POLB
SCHEMBL14733928 0.69 TSHR (1.00) TSHRMAPK1MAPTTP53POLB
SCHEMBL7745456 0.69 TSHR (0.61) TSHRMAPK1NOS1NOS2MAPT
SCHEMBL7745601 0.68 TSHR (0.68) TSHRMAPK1MAPTTP53POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
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